1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene

C14H12Cl2O3 — CID 154094550

IUPAC1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene
SMILESCOC(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2O3/c1-17-14(18-12-6-2-10(15)3-7-12)19-13-8-4-11(16)5-9-13/h2-9,14H,1H3
InChIKeyGHOJHOWAMIRCQM-UHFFFAOYSA-N
MW299.15 g/mol
LogP4.38
Rot. Bonds5

About 1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene

1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene (PubChem CID 154094550) has the molecular formula C14H12Cl2O3 and a molecular weight of 299.15 g/mol. Its IUPAC name is 1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene.

Molecular Properties

Compound Name1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene
PubChem CID154094550
Molecular FormulaC14H12Cl2O3
Molecular Weight299.15 g/mol
Exact Mass298.02
IUPAC Name1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene
SMILESCOC(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2O3/c1-17-14(18-12-6-2-10(15)3-7-12)19-13-8-4-11(16)5-9-13/h2-9,14H,1H3
InChIKeyGHOJHOWAMIRCQM-UHFFFAOYSA-N
XLogP4.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-(1-chloroethoxy)benzene
CID 13323363
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
1-chloro-4-heptan-4-yloxybenzene
CID 142490419
1-chloro-4-(dicyclohexyloxymethoxy)benzene
CID 134879759
N-(4-chlorophenyl)-4-propan-2-yloxyaniline
CID 82535862
1-chloro-4-(1-chlorobutan-2-yloxy)benzene
CID 70462784
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2-(4-chlorophenoxy)propanoate
CID 4556388
1-(4-chlorophenoxy)butan-1-ol
CID 23332143
1-(4-chlorophenoxy)-N,2,2-trimethylpropan-1-amine
CID 139899883
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
(2R,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid
CID 131860776

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene?
The IUPAC name of 1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene (CID 154094550) is 1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene.
What is the SMILES notation for 1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene?
The canonical SMILES for 1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene is COC(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene?
The InChIKey is GHOJHOWAMIRCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O3/c1-17-14(18-12-6-2-10(15)3-7-12)19-13-8-4-11(16)5-9-13/h2-9,14H,1H3.
What are the key properties of 1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene?
1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene has a molecular weight of 299.15 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-chlorophenoxy)-methoxymethoxy]benzene is sourced from PubChem (CID 154094550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).